Geometry & MOs

Info

ID:	398781
PubChem CID:	135035389
Reduced:	NOC10H13 (3)
Stoich.:	ABC10D13 (3)
Weight, g/mol:	314.079038
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	7.25
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)ethenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1CCCCC1)N2CCCCCCNC(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O

DOS

IR

Vibrations